Basic information
- CAS
3693-14-9- Standard SMILES
CN(C)C1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1- InChIKey
DQZUAVXXQQOPOW-UHFFFAOYSA-N- Molecular formula
- C17H16ClN3O
- Average molar mass
- 313.8 g/mol
- Monoisotopic mass
- 313.0981898
Names & identifiers
- Preferred name
- 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide
- IUPAC
- 7-chloro-N,N-dimethyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine
- English name
- 7-Chloro-2-(dimethylamino)-5-phenyl-3H-1,4-benzodiazepine 4-oxide
- Molecular weight
- 0
Names & synonyms
3693-14-93H-1,4-BENZODIAZEPINE, 7-CHLORO-2-DIMETHYLAMINO-5-PHENYL-, 4-OXIDEBRN 07572927-Chloro-2-dimethylamino-5-phenyl-3H-1,4-benzodiazepine 4-oxideDTXSID401904195-25-11-00431 (Beilstein Handbook Reference)RefChem:283043DTXCID001129107-chloro-N,N-dimethyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine7-Chloro-2-(dimethylamino)-5-phenyl-3H-1,4-benzodiazepine 4-oxide7-Chloro-2-(dimethylamino)-5-phenyl3H-benzo[e] [1,4]diazepine 4-oxide7-Chloro-N,N-dimethyl-4-oxo-5-phenyl-3H-1,4lambda~5~-benzodiazepin-2-amine
Show more names
Clevidipine Impurity 28N-Methyl ChlordiazepoxideCloviripine Impurities 287-CHLORO-2-(DIMETHYLAMINO)-5-PHENYL3H-BENZO[E] [1,4]DIAZEPINE 4-
Database identifiers
- CAS
3693-14-9- PubChem CID
- 19404
- DTXSID
DTXSID40190419- Nikkaji
- J41.272D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 469
Chemistry & industry
Applications
UsesN-Methyl-13CD3 Chlordiazepoxide is the labelled form of N-Methyl Chlordiazepoxide (M295335). N-Methyl Chlordiazepoxide is a metabolite of Chlordiazepoxide (C327050). Chlordiazepoxide is a controlled substance (depressant), anxiolytic and a prototype of the benzodiazepine anxiolytics.
Suppliers3 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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